CID 19597582

Tert-butyl 3-formyl-2-azabicyclo[2.2.1]heptane-2-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)N1C2CCC(C2)C1C=O
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-9-5-4-8(6-9)10(13)7-14/h7-10H,4-6H2,1-3H3
InChIKey
SBGUXKCMANRLIX-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-2-azabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

225.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 155.3
[M+Na]+ 248.125708 162.4
[M-H]- 224.129214 156.9
[M+NH4]+ 243.170313 177.8
[M+K]+ 264.099648 161.3
[M+H-H2O]+ 208.133750 151.1
[M+HCOO]- 270.134691 172.7
[M+CH3COO]- 284.150341 188.9
[M+Na-2H]- 246.111156 156.7
[M]+ 225.13594142 157.1
[M]- 225.13703858 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe